Chemical ID: 5389240

Cc1cccc(c1C)NC(=O)CSc2nc(cs2)c3ccccc3
Chemical ID:
5389240
Name [?]:
N-(2,3-dimethylphenyl)-2-(4-phenylthiazol-2-yl)sulfanyl-acetamide
SMILES [?]:
Cc1cccc(c1C)NC(=O)CSc2nc(cs2)c3ccccc3
InChi [?]:
InChI=1/C19H18N2OS2/c1-13-7-6-10-16(14(13)2)20-18(22)12-24-19-21-17(11-23-19)15-8-4-3-5-9-15/h3-11H,12H2,1-2H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,8,22,21,23,4,3,20,24,5,17,12,2,7,19,6,16,10,14,9,15,11,18,13/E:(4,5)(8,9)/rA:24nCCCCCCCCNCOCSCNCCSCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s9;d10;s10;s12;s13;d14;s15;d16;s14s17;s16;s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H18N2OS2
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:11.3045
Area:573.138
Solvation:-3.02398
Coulombic:-28.1939
Bond Count [?]
All:26
Single:17
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:354.491
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.37
LogP (Chemaxon):5.09

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Descriptor Annotations

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